N-[4-methyl-5-({8-methyl-2,8-diazaspiro[4.5]decan-2-yl}sulfonyl)-1,3-thiazol-2-yl]acetamide

• ChemBase ID: 503769
• Molecular Formular: C15H24N4O3S2
• Molecular Mass: 372.50606
• Monoisotopic Mass: 372.12898265
• SMILES: c1(S(=O)(=O)N2CC3(CC2)CCN(CC3)C)sc(nc1C)NC(=O)C
• Canonical SMILES: CN1CCC2(CC1)CCN(C2)S(=O)(=O)c1sc(nc1C)NC(=O)C
• InChI: InChI=1S/C15H24N4O3S2/c1-11-13(23-14(16-11)17-12(2)20)24(21,22)19-9-6-15(10-19)4-7-18(3)8-5-15/h4-10H2,1-3H3,(H,16,17,20)
• InChIKey: ZMPOQTAKJHNXOU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[4-methyl-5-({8-methyl-2,8-diazaspiro[4.5]decan-2-yl}sulfonyl)-1,3-thiazol-2-yl]acetamide
• IUPAC Traditional name: N-(4-methyl-5-{8-methyl-2,8-diazaspiro[4.5]decan-2-ylsulfonyl}-1,3-thiazol-2-yl)acetamide
• Synonyms: N-{4-methyl-5-[(8-methyl-2,8-diazaspiro[4.5]dec-2-yl)sulfonyl]-1,3-thiazol-2-yl}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.609418
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -2.6098633
• LogD (pH = 7.4): -0.86589545
• Log P: 0.29662284
• Molar Refractivity: 94.241 cm^3
• Polarizability: 36.806923 Å^3
• Polar Surface Area: 82.61 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.87
• LOG S: -2.66
• Polar Surface Area: 82.61 Å^2
• Rotatable Bonds: 2